Metal-organic frameworks : materials modeling towards engineering applications /: materials modeling towards engineering applications. (2015)

• Record Type: Book
• Further Information: Note: Edited by Jianwen Jiang.
• Editors: Jiang, Jianwen
• Contents: Computational Approaches to the Design, Crystal Structure Prediction, and Structure-Property Relationships of Metal-Organic Frameworks; Caroline Mellot-Draznieks, Ben Slater, and Raimondas Galvelis On the Application of Classical Molecular Simulations of Adsorption in Metal-Organic Frameworks; David Dubbeldam and Krista S. Walton Modeling the Adsorption of Small Molecules at Coordinatively Unsaturated Metal Sites: Density-Functional Theory and Molecular Mechanics Approaches; Michael Fischer and Michael Fröba Accurate ab initio Description of Adsorption on Coordinatively Unsaturated Sites in Metal-Organic Frameworks; Lukáš Grajciar, Miroslav Rubeš, Ota Bludský, and Petr Nachtigall Modeling Sorbate Equilibria and Transport in Porous Coordination Polymers; George K. Papadopoulos Modeling Quantum Effects on Adsorption and Diffusion of Hydrogen in Metal-Organic Frameworks; Giovanni Garberoglio Molecular Modeling of Gas Separation in Metal-Organic Frameworks; Qingyuan Yang, Dahuan Liu, and Chongli Zhong Molecular Modeling of Metal-Organic Frameworks for Carbon Dioxide Separation; Seda Keskin Modeling of Zeolitic-like Hybrid Materials for Gas Separation; Carlos Nieto-Draghi and Javier Pérez-Pellitero Modeling Adsorptive Separations using Metal-Organic Frameworks; Alexandre F. P. Ferreira, Ana M. Ribeiro, João C. Santos, Marta C. Campo, and Alírio E. Rodrigues Computer Simulations of Ionic Metal-Organic Frameworks; Anjaiah Nalaparaju and Jianwen Jiang Computational Modeling of Catalysis in Metal-Organic Frameworks; Qiuju Zhang and Liang Chen Modeled Catalytic Properties of Metal-Organic Frameworks-Based Compounds; Dario Duca
• Edition: 1st
• Publisher Details: Singapore : Pan Stanford Publishing
• Publication Date: 2015
• Extent: 1 online resource, illustrations (black and white, and colour)
• Subjects: 547.05; Organometallic compounds -- Industrial applications; Porous materials -- Industrial applications; Organometallic compounds -- Mathematical models; Porous materials -- Mathematical models; Supramolecular organometallic chemistry
• Languages: English
• ISBNs: 9789814613460
• Related ISBNs: 9789814613453
• Notes: Note: Description based on CIP data; item not viewed.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.